1-(cyclobutylmethyl)tetrazole

C6H10N4 — CID 57311693

IUPAC1-(cyclobutylmethyl)tetrazole
SMILESc1nnnn1CC1CCC1
InChIInChI=1S/C6H10N4/c1-2-6(3-1)4-10-5-7-8-9-10/h5-6H,1-4H2
InChIKeyBENCGQWZUFZYIC-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.47
Rot. Bonds2

About 1-(cyclobutylmethyl)tetrazole

1-(cyclobutylmethyl)tetrazole (PubChem CID 57311693) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)tetrazole.

Molecular Properties

Compound Name1-(cyclobutylmethyl)tetrazole
PubChem CID57311693
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name1-(cyclobutylmethyl)tetrazole
SMILESc1nnnn1CC1CCC1
InChIInChI=1S/C6H10N4/c1-2-6(3-1)4-10-5-7-8-9-10/h5-6H,1-4H2
InChIKeyBENCGQWZUFZYIC-UHFFFAOYSA-N
XLogP0.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)tetrazole?
The IUPAC name of 1-(cyclobutylmethyl)tetrazole (CID 57311693) is 1-(cyclobutylmethyl)tetrazole.
What is the SMILES notation for 1-(cyclobutylmethyl)tetrazole?
The canonical SMILES for 1-(cyclobutylmethyl)tetrazole is c1nnnn1CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)tetrazole?
The InChIKey is BENCGQWZUFZYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-2-6(3-1)4-10-5-7-8-9-10/h5-6H,1-4H2.
What are the key properties of 1-(cyclobutylmethyl)tetrazole?
1-(cyclobutylmethyl)tetrazole has a molecular weight of 138.17 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)tetrazole is sourced from PubChem (CID 57311693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).